SCHEMBL21362298

SCHEMBL21362298

Cn1cnc2c(ncn2[C@H]2CC[C@@H](CO)O2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
ALB P02768 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP1A2 P05177 1/20 0.54
TYMP P19971 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HIF1A Q16665 1/20 0.38
ABL1 P00519 2/20 0.38
RIN1 Q13671 2/20 0.38
ADA P00813 1/20 0.37
STING1 Q86WV6 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23641893 0.86 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL12884872 0.85 ALDH1A1 (0.58) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL21362217 0.83 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL21362282 0.82 ALDH1A1 (0.44) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL4409629 0.79 CYP1A2 (0.66) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL31685345 0.79 HIF1A (0.62) LMNAHIF1A
Didanosine SCHEMBL16695883 0.78 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL5021456 0.78 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL1674335 0.78 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL16695885 0.78 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 WO disclosed